$Number_of_Clusters = 36 $Seed = -1985 $Leader_Info 1 { Num_Members = 33 Total_Energy = 71.699 vdW = -30.290 Coulomb = -31.887 Internal = 133.877 rmsd = 0.000 } $Leader_Info 2 { Num_Members = 45 Total_Energy = 74.628 vdW = -27.045 Coulomb = -34.486 Internal = 136.159 rmsd = 11.630 } $Leader_Info 3 { Num_Members = 32 Total_Energy = 77.248 vdW = -28.612 Coulomb = -32.409 Internal = 138.268 rmsd = 11.741 } $Leader_Info 4 { Num_Members = 35 Total_Energy = 80.212 vdW = -30.346 Coulomb = -27.936 Internal = 138.494 rmsd = 1.176 } $Leader_Info 5 { Num_Members = 43 Total_Energy = 83.382 vdW = -23.241 Coulomb = -38.896 Internal = 145.519 rmsd = 11.379 } $Leader_Info 6 { Num_Members = 48 Total_Energy = 84.116 vdW = -26.397 Coulomb = -32.113 Internal = 142.626 rmsd = 11.383 } $Leader_Info 7 { Num_Members = 4 Total_Energy = 84.618 vdW = -24.396 Coulomb = -29.788 Internal = 138.803 rmsd = 11.729 } $Leader_Info 8 { Num_Members = 29 Total_Energy = 86.168 vdW = -25.316 Coulomb = -34.019 Internal = 145.504 rmsd = 11.584 } $Leader_Info 9 { Num_Members = 45 Total_Energy = 86.601 vdW = -23.814 Coulomb = -40.061 Internal = 150.476 rmsd = 11.183 } $Leader_Info 10 { Num_Members = 61 Total_Energy = 86.949 vdW = -26.647 Coulomb = -36.380 Internal = 149.976 rmsd = 11.257 } $Leader_Info 11 { Num_Members = 21 Total_Energy = 87.582 vdW = -23.787 Coulomb = -33.629 Internal = 144.998 rmsd = 11.676 } $Leader_Info 12 { Num_Members = 14 Total_Energy = 88.898 vdW = -18.334 Coulomb = -34.411 Internal = 141.642 rmsd = 11.992 } $Leader_Info 13 { Num_Members = 43 Total_Energy = 90.801 vdW = -24.883 Coulomb = -34.690 Internal = 150.374 rmsd = 11.287 } $Leader_Info 14 { Num_Members = 31 Total_Energy = 91.506 vdW = -24.081 Coulomb = -36.995 Internal = 152.583 rmsd = 11.070 } $Leader_Info 15 { Num_Members = 15 Total_Energy = 92.479 vdW = -22.546 Coulomb = -26.282 Internal = 141.307 rmsd = 1.754 } $Leader_Info 16 { Num_Members = 19 Total_Energy = 92.798 vdW = -28.080 Coulomb = -33.088 Internal = 153.966 rmsd = 11.297 } $Leader_Info 17 { Num_Members = 44 Total_Energy = 92.810 vdW = -20.867 Coulomb = -34.744 Internal = 148.422 rmsd = 11.215 } $Leader_Info 18 { Num_Members = 11 Total_Energy = 94.827 vdW = -19.737 Coulomb = -35.112 Internal = 149.676 rmsd = 11.288 } $Leader_Info 19 { Num_Members = 42 Total_Energy = 95.952 vdW = -22.265 Coulomb = -30.947 Internal = 149.164 rmsd = 1.840 } $Leader_Info 20 { Num_Members = 17 Total_Energy = 98.419 vdW = -26.612 Coulomb = -36.463 Internal = 161.494 rmsd = 11.342 } $Leader_Info 21 { Num_Members = 20 Total_Energy = 98.486 vdW = -20.421 Coulomb = -23.811 Internal = 142.718 rmsd = 11.306 } $Leader_Info 22 { Num_Members = 44 Total_Energy = 99.911 vdW = -25.569 Coulomb = -25.726 Internal = 151.206 rmsd = 10.628 } $Leader_Info 23 { Num_Members = 12 Total_Energy = 102.241 vdW = -13.116 Coulomb = -32.369 Internal = 147.726 rmsd = 10.901 } $Leader_Info 24 { Num_Members = 6 Total_Energy = 103.340 vdW = -17.196 Coulomb = -34.384 Internal = 154.920 rmsd = 10.716 } $Leader_Info 25 { Num_Members = 30 Total_Energy = 105.095 vdW = -18.316 Coulomb = -28.165 Internal = 151.576 rmsd = 3.104 } $Leader_Info 26 { Num_Members = 6 Total_Energy = 108.976 vdW = -23.490 Coulomb = -7.725 Internal = 140.192 rmsd = 11.830 } $Leader_Info 27 { Num_Members = 39 Total_Energy = 109.411 vdW = -7.651 Coulomb = -34.944 Internal = 152.005 rmsd = 10.582 } $Leader_Info 28 { Num_Members = 44 Total_Energy = 110.336 vdW = -20.275 Coulomb = -29.465 Internal = 160.076 rmsd = 11.287 } $Leader_Info 29 { Num_Members = 33 Total_Energy = 112.114 vdW = -4.907 Coulomb = -35.004 Internal = 152.025 rmsd = 10.886 } $Leader_Info 30 { Num_Members = 18 Total_Energy = 116.174 vdW = -7.460 Coulomb = -30.009 Internal = 153.643 rmsd = 3.272 } $Leader_Info 31 { Num_Members = 36 Total_Energy = 116.331 vdW = -21.971 Coulomb = -6.519 Internal = 144.821 rmsd = 11.248 } $Leader_Info 32 { Num_Members = 35 Total_Energy = 117.363 vdW = -13.668 Coulomb = -28.221 Internal = 159.252 rmsd = 11.386 } $Leader_Info 33 { Num_Members = 9 Total_Energy = 119.035 vdW = -18.100 Coulomb = -9.994 Internal = 147.128 rmsd = 11.229 } $Leader_Info 34 { Num_Members = 31 Total_Energy = 121.533 vdW = -15.632 Coulomb = -15.436 Internal = 152.600 rmsd = 2.442 } $Leader_Info 35 { Num_Members = 4 Total_Energy = 122.888 vdW = 0.819 Coulomb = -16.939 Internal = 139.008 rmsd = 1.692 } $Leader_Info 36 { Num_Members = 1 Total_Energy = 126.656 vdW = -17.598 Coulomb = -10.778 Internal = 155.031 rmsd = 10.654 }